[(E)-7-(3-thiophen-3-ylphenoxy)hept-2-enyl] (E)-8,8-dimethylnon-4-en-6-ynoate

Systemtic Name: [(E)-7-(3-thiophen-3-ylphenoxy)hept-2-enyl] (E)-8,8-dimethylnon-4-en-6-ynoate Openeye Name: [(E)-7-[3-(3-thienyl)phenoxy]hept-2-enyl] (E)-8,8-dimethylnon-4-en-6-ynoate CAS Name: (E)-8,8-dimethylnon-4-en-6-ynoic acid [(E)-7-[3-(3-thiophenyl)phenoxy]hept-2-enyl] ester IUPAC Name: [(E)-7-(3-thiophen-3-ylphenoxy)hept-2-enyl] (E)-8,8-dimethylnon-4-en-6-ynoate Traditional Name: (E)-8,8-dimethylnon-4-en-6-ynoic acid [(E)-7-[3-(3-thienyl)phenoxy]hept-2-enyl] ester Formula: C28H34O3S MolecularWeight: 450.63276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCCC(=O)OCC=CCCCCOC1=CC=CC(=C1)C2=CSC=C2

Isomeric SMILES

CC(C)(C)C#C/C=C/CCC(=O)OC/C=C/CCCCOC1=CC=CC(=C1)C2=CSC=C2

InChI

InChI=1S/C28H34O3S/c1-28(2,3)18-10-6-5-9-16-27(29)31-20-12-8-4-7-11-19-30-26-15-13-14-24(22-26)25-17-21-32-23-25/h5-6,8,12-15,17,21-23H,4,7,9,11,16,19-20H2,1-3H3/b6-5+,12-8+